Summary

IMPPAT Phytochemical identifier: IMPHY003347

Phytochemical name: Stearyl stearate

Synonymous chemical names:
stearyl stearate

External chemical identifiers:
CID:17720, ZINC:ZINC000059657416, FDASRS:5WX2EGD0DK, SureChEMBL:SCHEMBL42773

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3

InChIKey:
NKBWPOSQERPBFI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCCCCC

Functional groups:
COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.103

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Chemical structure download